2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC3=C(C=C2)OCCO3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC3=C(C=C2)OCCO3)CCO)CC4=CC=CS4

InChI

InChI=1S/C20H26N2O3S/c23-8-5-17-14-21(6-7-22(17)15-18-2-1-11-26-18)13-16-3-4-19-20(12-16)25-10-9-24-19/h1-4,11-12,17,23H,5-10,13-15H2/p+1/t17-/m0/s1